UCSF

ZINC00543458

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 1.59 -40.49 1 5 -1 78 307.127 2
Mid Mid (pH 6-8) 2.00 3.44 -7.57 2 5 0 75 308.135 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )